Published January 1, 2004
| Version v1
Journal article
Event-driven molecular dynamics in parallel
Creators
Description
Although event-driven algorithms have been shown to be far more efficient than time-driven methods such as conventional molecular dynamics, they have not become as popular. The main obstacle seems to be the difficulty of parallelizing event-driven molecular dynamics. Several basic ideas have been discussed in recent years, but to our knowledge no complete implementation has been published yet. In this paper we present a parallel event-driven algorithm including dynamic load-balancing, which can be easily implemented on any computer architecture. To simplify matters our explanations refer to a basic multi-particle system of hard spheres, but can be extended easily to a wide variety of possible models
Additional details
Identifiers
- DOI
- 10.1016/j.jcp.2003.08.009;
- arXiv
- arXiv:physics/0302002v2;
- PII
- S0021999103004339;
Publishing Information
- Journal Title
- Journal of Computational Physics
- Journal Volume
- 193
- Journal Issue
- 1
- Journal Page Range
- p. 306-316
- ISSN
- 0021-9991
- CODEN
- JCTPAH
INIS
- Country of Publication
- United States
- Country of Input or Organization
- International Atomic Energy Agency (IAEA)
- INIS RN
- 35048350
- Subject category
- S71: CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS;
- Descriptors DEI
- ALGORITHMS; COMPUTER CALCULATIONS; COMPUTERIZED SIMULATION; MOLECULAR DYNAMICS METHOD; NUMERICAL ANALYSIS; NUMERICAL SOLUTION; PARTICLES
- Descriptors DEC
- CALCULATION METHODS; MATHEMATICAL LOGIC; MATHEMATICAL SOLUTIONS; MATHEMATICS; SIMULATION
Optional Information
- Copyright
- Copyright (c) 2003 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.